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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'ahmad' and Initial = 'f'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium/calmodulin- dependent protein kinase IV (CAMKIV)


(Homo sapiens (Human))
BDBM223209
PNG
(8-((6-Chloropyrimidin-4-yl)oxy)quinoline (Compound...)
Show SMILES Clc1cc(Oc2cccc3cccnc23)ncn1
Show InChI InChI=1S/C13H8ClN3O/c14-11-7-12(17-8-16-11)18-10-5-1-3-9-4-2-6-15-13(9)10/h1-8H
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0.0109n/an/an/an/an/an/an/an/a



B.R. Ambedkar Bihar University



Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi...


Chem Biol Drug Des 89: 741-754 (2017)


Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50055003
PNG
(6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2
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1.70n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118294
PNG
(7-(4-Chloro-phenyl)-7,8,9,10-tetrahydro-7a,11-diaz...)
Show SMILES OC1(N2CCCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O/c22-16-9-7-15(8-10-16)21(25)18-11-6-14-4-1-2-5-17(14)19(18)20-23-12-3-13-24(20)21/h1-2,4-11,25H,3,12-13H2
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2.01n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50118291
PNG
(5-Naphthalen-2-yl-2,5-dihydro-3H-imidazo[2,1-a]iso...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N2O/c23-20(16-10-9-14-5-1-2-6-15(14)13-16)18-8-4-3-7-17(18)19-21-11-12-22(19)20/h1-10,13,23H,11-12H2
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2.30n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118289
PNG
(7-Naphthalen-2-yl-8,9-dihydro-7H-7a,10-diaza-penta...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N2O/c27-24(19-11-9-16-5-1-2-7-18(16)15-19)21-12-10-17-6-3-4-8-20(17)22(21)23-25-13-14-26(23)24/h1-12,15,27H,13-14H2
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2.83n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118289
PNG
(7-Naphthalen-2-yl-8,9-dihydro-7H-7a,10-diaza-penta...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N2O/c27-24(19-11-9-16-5-1-2-7-18(16)15-19)21-12-10-17-6-3-4-8-20(17)22(21)23-25-13-14-26(23)24/h1-12,15,27H,13-14H2
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5.20n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Norepinephrin transpoter sites on HEK-hNET cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118294
PNG
(7-(4-Chloro-phenyl)-7,8,9,10-tetrahydro-7a,11-diaz...)
Show SMILES OC1(N2CCCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O/c22-16-9-7-15(8-10-16)21(25)18-11-6-14-4-1-2-5-17(14)19(18)20-23-12-3-13-24(20)21/h1-2,4-11,25H,3,12-13H2
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5.30n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Norepinephrin transpoter sites on HEK-hNET cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50118294
PNG
(7-(4-Chloro-phenyl)-7,8,9,10-tetrahydro-7a,11-diaz...)
Show SMILES OC1(N2CCCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O/c22-16-9-7-15(8-10-16)21(25)18-11-6-14-4-1-2-5-17(14)19(18)20-23-12-3-13-24(20)21/h1-2,4-11,25H,3,12-13H2
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5.5n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50118289
PNG
(7-Naphthalen-2-yl-8,9-dihydro-7H-7a,10-diaza-penta...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N2O/c27-24(19-11-9-16-5-1-2-7-18(16)15-19)21-12-10-17-6-3-4-8-20(17)22(21)23-25-13-14-26(23)24/h1-12,15,27H,13-14H2
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11n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118291
PNG
(5-Naphthalen-2-yl-2,5-dihydro-3H-imidazo[2,1-a]iso...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N2O/c23-20(16-10-9-14-5-1-2-6-15(14)13-16)18-8-4-3-7-17(18)19-21-11-12-22(19)20/h1-10,13,23H,11-12H2
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11n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Norepinephrin transpoter sites on HEK-hNET cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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18n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Norepinephrin transpoter sites on HEK-hNET cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50055003
PNG
(6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2
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18n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on rat striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118293
PNG
(7-(4-Chloro-phenyl)-8,9-dihydro-7H-7a,10-diaza-pen...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-15-8-6-14(7-9-15)20(24)17-10-5-13-3-1-2-4-16(13)18(17)19-22-11-12-23(19)20/h1-10,24H,11-12H2
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27.2n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118293
PNG
(7-(4-Chloro-phenyl)-8,9-dihydro-7H-7a,10-diaza-pen...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-15-8-6-14(7-9-15)20(24)17-10-5-13-3-1-2-4-16(13)18(17)19-22-11-12-23(19)20/h1-10,24H,11-12H2
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33.4n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Norepinephrin transpoter sites on HEK-hNET cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50055003
PNG
(6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2
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39n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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45n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118291
PNG
(5-Naphthalen-2-yl-2,5-dihydro-3H-imidazo[2,1-a]iso...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N2O/c23-20(16-10-9-14-5-1-2-6-15(14)13-16)18-8-4-3-7-17(18)19-21-11-12-22(19)20/h1-10,13,23H,11-12H2
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45n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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50n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118295
PNG
(11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-b...)
Show SMILES OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-2,5-6,9-12,17-18,24H,3-4,7-8H2/t17-,18-,20?/m0/s1
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152n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50118293
PNG
(7-(4-Chloro-phenyl)-8,9-dihydro-7H-7a,10-diaza-pen...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-15-8-6-14(7-9-15)20(24)17-10-5-13-3-1-2-4-16(13)18(17)19-22-11-12-23(19)20/h1-10,24H,11-12H2
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224n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50118295
PNG
(11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-b...)
Show SMILES OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-2,5-6,9-12,17-18,24H,3-4,7-8H2/t17-,18-,20?/m0/s1
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600n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50118295
PNG
(11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-b...)
Show SMILES OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-2,5-6,9-12,17-18,24H,3-4,7-8H2/t17-,18-,20?/m0/s1
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690n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Norepinephrin transpoter sites on HEK-hNET cells


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Calcium/calmodulin- dependent protein kinase IV (CAMKIV)


(Homo sapiens (Human))
BDBM223208
PNG
(7-((6-((5-Methoxy-1H-benzo[d]imidazol-2-yl)thio)py...)
Show SMILES COc1ccc2[nH]c(Sc3cc(Oc4ccc5c(C)cc(=O)oc5c4)ncn3)nc2c1
Show InChI InChI=1S/C22H16N4O4S/c1-12-7-21(27)30-18-9-14(3-5-15(12)18)29-19-10-20(24-11-23-19)31-22-25-16-6-4-13(28-2)8-17(16)26-22/h3-11H,1-2H3,(H,25,26)
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1.35E+3n/an/an/an/an/an/an/an/a



B.R. Ambedkar Bihar University



Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi...


Chem Biol Drug Des 89: 741-754 (2017)


Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30
More data for this
Ligand-Target Pair
Calcium/calmodulin- dependent protein kinase IV (CAMKIV)


(Homo sapiens (Human))
BDBM223207
PNG
(4-Methyl-7-((6-(quinolin-8-yloxy)pyrimidin-4-yl)ox...)
Show SMILES Cc1cc(=O)oc2cc(Oc3cc(Oc4cccc5cccnc45)ncn3)ccc12
Show InChI InChI=1S/C23H15N3O4/c1-14-10-22(27)30-19-11-16(7-8-17(14)19)28-20-12-21(26-13-25-20)29-18-6-2-4-15-5-3-9-24-23(15)18/h2-13H,1H3
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1.45E+3n/an/an/an/an/an/an/an/a



B.R. Ambedkar Bihar University



Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi...


Chem Biol Drug Des 89: 741-754 (2017)


Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30
More data for this
Ligand-Target Pair
Calcium/calmodulin- dependent protein kinase IV (CAMKIV)


(Homo sapiens (Human))
BDBM223206
PNG
(7-[(6-Chloropyrimidin-4-yl)oxy]-4-methyl-2H-chrome...)
Show SMILES Cc1cc(=O)oc2cc(Oc3cc(Cl)ncn3)ccc12
Show InChI InChI=1S/C14H9ClN2O3/c1-8-4-14(18)20-11-5-9(2-3-10(8)11)19-13-6-12(15)16-7-17-13/h2-7H,1H3
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3.57E+3n/an/an/an/an/an/an/an/a



B.R. Ambedkar Bihar University



Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi...


Chem Biol Drug Des 89: 741-754 (2017)


Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30
More data for this
Ligand-Target Pair
Calcium/calmodulin- dependent protein kinase IV (CAMKIV)


(Homo sapiens (Human))
BDBM223205
PNG
(6-((5-Methoxy-1H-benzo[d]imidazol-2-yl)thio)-N-(4-...)
Show SMILES COc1ccc(Nc2cc(Sc3nc4cc(OC)ccc4[nH]3)ncn2)cc1
Show InChI InChI=1S/C19H17N5O2S/c1-25-13-5-3-12(4-6-13)22-17-10-18(21-11-20-17)27-19-23-15-8-7-14(26-2)9-16(15)24-19/h3-11H,1-2H3,(H,23,24)(H,20,21,22)
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1.01E+4n/an/an/an/an/an/an/an/a



B.R. Ambedkar Bihar University



Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi...


Chem Biol Drug Des 89: 741-754 (2017)


Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30
More data for this
Ligand-Target Pair
Calcium/calmodulin- dependent protein kinase IV (CAMKIV)


(Homo sapiens (Human))
BDBM223204
PNG
(8-((6-((5-Methoxy-1H-benzo[d]imidazol-2-yl)thio)py...)
Show SMILES COc1ccc2[nH]c(Sc3cc(Oc4cccc5cccnc45)ncn3)nc2c1
Show InChI InChI=1S/C21H15N5O2S/c1-27-14-7-8-15-16(10-14)26-21(25-15)29-19-11-18(23-12-24-19)28-17-6-2-4-13-5-3-9-22-20(13)17/h2-12H,1H3,(H,25,26)
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2.44E+4n/an/an/an/an/an/an/an/a



B.R. Ambedkar Bihar University



Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi...


Chem Biol Drug Des 89: 741-754 (2017)


Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30
More data for this
Ligand-Target Pair
Calcium/calmodulin- dependent protein kinase IV (CAMKIV)


(Homo sapiens (Human))
BDBM223203
PNG
(8-((6-(Naphthalen-2-yloxy)pyrimidin-4-yl)oxy)quino...)
Show SMILES O(c1ccc2ccccc2c1)c1cc(Oc2cccc3cccnc23)ncn1
Show InChI InChI=1S/C23H15N3O2/c1-2-6-18-13-19(11-10-16(18)5-1)27-21-14-22(26-15-25-21)28-20-9-3-7-17-8-4-12-24-23(17)20/h1-15H
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6.67E+5n/an/an/an/an/an/an/an/a



B.R. Ambedkar Bihar University



Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi...


Chem Biol Drug Des 89: 741-754 (2017)


Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118294
PNG
(7-(4-Chloro-phenyl)-7,8,9,10-tetrahydro-7a,11-diaz...)
Show SMILES OC1(N2CCCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O/c22-16-9-7-15(8-10-16)21(25)18-11-6-14-4-1-2-5-17(14)19(18)20-23-12-3-13-24(20)21/h1-2,4-11,25H,3,12-13H2
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n/an/a 2.10n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118295
PNG
(11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-b...)
Show SMILES OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-2,5-6,9-12,17-18,24H,3-4,7-8H2/t17-,18-,20?/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118289
PNG
(7-Naphthalen-2-yl-8,9-dihydro-7H-7a,10-diaza-penta...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N2O/c27-24(19-11-9-16-5-1-2-7-18(16)15-19)21-12-10-17-6-3-4-8-20(17)22(21)23-25-13-14-26(23)24/h1-12,15,27H,13-14H2
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n/an/a 3.30n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118291
PNG
(5-Naphthalen-2-yl-2,5-dihydro-3H-imidazo[2,1-a]iso...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N2O/c23-20(16-10-9-14-5-1-2-6-15(14)13-16)18-8-4-3-7-17(18)19-21-11-12-22(19)20/h1-10,13,23H,11-12H2
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n/an/a 4.10n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50055003
PNG
(6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2
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n/an/a 4.20n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118297
PNG
(11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-b...)
Show SMILES OC1(N2[C@H]3CCCC[C@H]3N=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-2,5-6,9-12,17-18,24H,3-4,7-8H2/t17-,18+,20?/m1/s1
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n/an/a 8.40n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118293
PNG
(7-(4-Chloro-phenyl)-8,9-dihydro-7H-7a,10-diaza-pen...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-15-8-6-14(7-9-15)20(24)17-10-5-13-3-1-2-4-16(13)18(17)19-22-11-12-23(19)20/h1-10,24H,11-12H2
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n/an/a 10.6n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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n/an/a 12.9n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on rat striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50118293
PNG
(7-(4-Chloro-phenyl)-8,9-dihydro-7H-7a,10-diaza-pen...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-15-8-6-14(7-9-15)20(24)17-10-5-13-3-1-2-4-16(13)18(17)19-22-11-12-23(19)20/h1-10,24H,11-12H2
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n/an/a 16.0n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on rat striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50118291
PNG
(5-Naphthalen-2-yl-2,5-dihydro-3H-imidazo[2,1-a]iso...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N2O/c23-20(16-10-9-14-5-1-2-6-15(14)13-16)18-8-4-3-7-17(18)19-21-11-12-22(19)20/h1-10,13,23H,11-12H2
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n/an/a 23.3n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on rat striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50118295
PNG
(11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-b...)
Show SMILES OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-2,5-6,9-12,17-18,24H,3-4,7-8H2/t17-,18-,20?/m0/s1
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n/an/a 34.2n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on rat striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118292
PNG
(10-(4-Chloro-phenyl)-2,10-dihydro-1H-3,10a-diaza-p...)
Show SMILES OC1(N2CCN=C2c2cc3ccccc3cc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-16-7-5-15(6-8-16)20(24)18-12-14-4-2-1-3-13(14)11-17(18)19-22-9-10-23(19)20/h1-8,11-12,24H,9-10H2
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n/an/a 36.1n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50118294
PNG
(7-(4-Chloro-phenyl)-7,8,9,10-tetrahydro-7a,11-diaz...)
Show SMILES OC1(N2CCCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O/c22-16-9-7-15(8-10-16)21(25)18-11-6-14-4-1-2-5-17(14)19(18)20-23-12-3-13-24(20)21/h1-2,4-11,25H,3,12-13H2
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n/an/a 37.3n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on rat striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50118289
PNG
(7-Naphthalen-2-yl-8,9-dihydro-7H-7a,10-diaza-penta...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N2O/c27-24(19-11-9-16-5-1-2-7-18(16)15-19)21-12-10-17-6-3-4-8-20(17)22(21)23-25-13-14-26(23)24/h1-12,15,27H,13-14H2
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n/an/a 38.1n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on rat striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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n/an/a 42.6n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118290
PNG
(10-(4-Chloro-phenyl)-8,10-dihydro-9H-7,9a-diaza-pe...)
Show SMILES OC1(N2CCN=C2c2ccc3ccccc3c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-15-8-6-14(7-9-15)20(24)18-16-4-2-1-3-13(16)5-10-17(18)19-22-11-12-23(19)20/h1-10,24H,11-12H2
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n/an/a 218n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118296
PNG
(5-Naphthalen-1-yl-2,5-dihydro-3H-imidazo[2,1-a]iso...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C20H16N2O/c23-20(17-11-5-7-14-6-1-2-8-15(14)17)18-10-4-3-9-16(18)19-21-12-13-22(19)20/h1-11,23H,12-13H2
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n/an/a 1.84E+3n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.


J Med Chem 45: 4110-8 (2002)


Article DOI: 10.1021/jm010301z
BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair